4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine

C134H84N8S4 — CID 157389131

IUPAC4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3sc4cccnc4c3c2)c1.c1cc(-c2ccc3sc4cccnc4c3c2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3sc4cccnc4c3c2)c1.c1ccc2c(c1)sc1c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccnc12
InChIInChI=1S/3C35H22N2S.C29H18N2S/c1-4-14-30(37-31-15-5-2-12-27(31)28-13-3-6-16-32(28)37)26(11-1)25-10-7-9-23(21-25)24-18-19-33-29(22-24)35-34(38-33)17-8-20-36-35;1-3-14-31-28(12-1)29-13-2-4-15-32(29)37(31)27-11-6-10-25(21-27)23-8-5-9-24(20-23)26-17-18-33-30(22-26)35-34(38-33)16-7-19-36-35;1-3-11-31-28(9-1)29-10-2-4-12-32(29)37(31)27-17-14-23(15-18-27)24-7-5-8-25(21-24)26-16-19-33-30(22-26)35-34(38-33)13-6-20-36-35;1-4-10-25-22(7-1)23-8-2-5-11-26(23)31(25)20-15-13-19(14-16-20)21-17-18-30-28-24-9-3-6-12-27(24)32-29(21)28/h3*1-22H;1-18H
InChIKeyBLUCYTOCBHGDRF-UHFFFAOYSA-N
MW1934.47 g/mol
LogP37.86
Rot. Bonds11

About 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine

4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine (PubChem CID 157389131) has the molecular formula C134H84N8S4 and a molecular weight of 1934.47 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
PubChem CID157389131
Molecular FormulaC134H84N8S4
Molecular Weight1934.47 g/mol
Exact Mass1932.57
IUPAC Name4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3sc4cccnc4c3c2)c1.c1cc(-c2ccc3sc4cccnc4c3c2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3sc4cccnc4c3c2)c1.c1ccc2c(c1)sc1c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccnc12
InChIInChI=1S/3C35H22N2S.C29H18N2S/c1-4-14-30(37-31-15-5-2-12-27(31)28-13-3-6-16-32(28)37)26(11-1)25-10-7-9-23(21-25)24-18-19-33-29(22-24)35-34(38-33)17-8-20-36-35;1-3-14-31-28(12-1)29-13-2-4-15-32(29)37(31)27-11-6-10-25(21-27)23-8-5-9-24(20-23)26-17-18-33-30(22-26)35-34(38-33)16-7-19-36-35;1-3-11-31-28(9-1)29-10-2-4-12-32(29)37(31)27-17-14-23(15-18-27)24-7-5-8-25(21-24)26-16-19-33-30(22-26)35-34(38-33)13-6-20-36-35;1-4-10-25-22(7-1)23-8-2-5-11-26(23)31(25)20-15-13-19(14-16-20)21-17-18-30-28-24-9-3-6-12-27(24)32-29(21)28/h3*1-22H;1-18H
InChIKeyBLUCYTOCBHGDRF-UHFFFAOYSA-N
XLogP37.86
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.47
LogP ≤ 537.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine with MolForge

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Related Compounds

4-(3-Methyl-4,6-diphenyl-2-pyridinyl)-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327171
5-[2-[3-([1]Benzothiolo[3,2-c]carbazol-5-yl)pyridin-2-yl]-3-(trifluoromethyl)phenyl]-10-[12-phenyl-5-[2-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(trifluoromethyl)phenyl]pyridin-3-yl]indolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole
CID 156282580
5-[3-[4-([1]Benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 156282707
5-[2-[4-([1]Benzothiolo[3,2-c]carbazol-5-yl)pyridin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 156282753
12-[2-([1]Benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4-(2,6-difluorophenyl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157676979
2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;5-(2,6-dimethylphenyl)-9-ethyl-3-pyridin-2-yl-2H-carbazol-2-ide;tris(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;heptakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
CID 158665055
4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]benzenesulfonamide;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]thiophene-2-sulfonamide;2,8-dimethyl-5-[(E)-2-(6-propyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 158791361
CID 159272117
CID 159272117
2-(4-Dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 159798427
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 160178868
20-dibenzothiophen-4-yl-15-methyl-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;18-methyl-20-(9-phenylcarbazol-2-yl)-10-thia-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;N-phenyl-N-[4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)phenyl]naphthalen-2-amine;20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 160216356
12-[4-([1]Benzothiolo[2,3-a]carbazol-12-yl)-2-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[2-(2,6-difluorophenyl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 160360389

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine (CID 157389131) is 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine is c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3sc4cccnc4c3c2)c1.c1cc(-c2ccc3sc4cccnc4c3c2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3sc4cccnc4c3c2)c1.c1ccc2c(c1)sc1c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccnc12.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is BLUCYTOCBHGDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C35H22N2S.C29H18N2S/c1-4-14-30(37-31-15-5-2-12-27(31)28-13-3-6-16-32(28)37)26(11-1)25-10-7-9-23(21-25)24-18-19-33-29(22-24)35-34(38-33)17-8-20-36-35;1-3-14-31-28(12-1)29-13-2-4-15-32(29)37(31)27-11-6-10-25(21-27)23-8-5-9-24(20-23)26-17-18-33-30(22-26)35-34(38-33)16-7-19-36-35;1-3-11-31-28(9-1)29-10-2-4-12-32(29)37(31)27-17-14-23(15-18-27)24-7-5-8-25(21-24)26-16-19-33-30(22-26)35-34(38-33)13-6-20-36-35;1-4-10-25-22(7-1)23-8-2-5-11-26(23)31(25)20-15-13-19(14-16-20)21-17-18-30-28-24-9-3-6-12-27(24)32-29(21)28/h3*1-22H;1-18H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine?
4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 1934.47 g/mol, XLogP of 37.86, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]pyridine;8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-(4-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 157389131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).